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Effect of the iodine atom position on the phosphorescence of BODIPY derivatives: a combined computational and experimental study.
- Source :
-
Photochemical & Photobiological Sciences . May2022, Vol. 21 Issue 5, p777-786. 10p. - Publication Year :
- 2022
-
Abstract
- A new BODIPY derivative (o-I–BDP) containing an iodine atom in the ortho position of the meso-linked phenyl group was prepared. Photophysical and electrochemical properties of the molecule were compared to previously reported iodo BODIPY derivatives, as well as to the non-iodinated analog. While in the case of derivatives featuring iodine substituents in the BODIPY core, efficient population of the triplet state is accompanied by a substantial positive shift of the reduction potential compared to pristine BODIPY, o-I–BDP displays phosphorescence and simultaneously maintains the electrochemical properties of unsubstituted BODIPYs. A theoretical investigation was settled to analyze results and rationalize the influence of iodine position on electronic and photophysical properties, with the purpose of preparing a fully organic phosphorescent BODIPY derivative. TD-DFT and spin–orbit coupling calculations shed light on the subtle effects played by the introduction of iodine atom in different positions of BODIPY. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 1474905X
- Volume :
- 21
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Photochemical & Photobiological Sciences
- Publication Type :
- Academic Journal
- Accession number :
- 157306423
- Full Text :
- https://doi.org/10.1007/s43630-021-00152-5